ethyl 4-[(2,4-dichlorophenyl)methyl-(2,2-dimethylpropanoylcarbamothioyl)amino]benzoate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(2,2-dimethylpropanoylcarbamothioyl)amino]benzoate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(2,2-dimethylpropanoylcarbamothioyl)amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(2,2-dimethylpropanoylcarbamothioyl)amino]benzoate Traditional Name: 4-[(2,4-dichlorobenzyl)-(pivaloylthiocarbamoyl)amino]benzoic acid ethyl ester Formula: C22H24Cl2N2O3S MolecularWeight: 467.40856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C22H24Cl2N2O3S/c1-5-29-19(27)14-7-10-17(11-8-14)26(21(30)25-20(28)22(2,3)4)13-15-6-9-16(23)12-18(15)24/h6-12H,5,13H2,1-4H3,(H,25,28,30)